9-chloranyl-3-methyl-7-phenyl-4a,5,6,11b-tetrahydro-1H-pyrimido[4,5-d][1]benzazepin-2-ium 2-oxide

Systemtic Name: 9-chloranyl-3-methyl-7-phenyl-4a,5,6,11b-tetrahydro-1H-pyrimido[4,5-d][1]benzazepin-2-ium 2-oxide Openeye Name: 9-chloro-3-methyl-7-phenyl-4a,5,6,11b-tetrahydro-1H-pyrimido[4,5-d][1]benzazepin-2-ium 2-oxide CAS Name: 9-chloro-3-methyl-7-phenyl-4a,5,6,11b-tetrahydro-1H-pyrimido[4,5-d][1]benzazepin-2-ium 2-oxide IUPAC Name: 9-chloro-3-methyl-7-phenyl-4a,5,6,11b-tetrahydro-1H-pyrimido[4,5-d][1]benzazepin-2-ium 2-oxide Traditional Name: 9-chloro-3-methyl-7-phenyl-4a,5,6,11b-tetrahydro-1H-pyrimido[4,5-d][1]benzazepin-2-ium 2-oxide Formula: C19H19ClN3O+ MolecularWeight: 340.82666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2CCN(C3=C(C2C[N+]1=O)C=CC(=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2CCN(C3=C(C2C[N+]1=O)C=CC(=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C19H19ClN3O/c1-13-21-18-9-10-22(15-5-3-2-4-6-15)19-11-14(20)7-8-16(19)17(18)12-23(13)24/h2-8,11,17-18H,9-10,12H2,1H3/q+1